ChemSpider 2D Image | (6aR,9R,10S,10aR)-9-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,10-diyl diacetate | C25H36O6

(6aR,9R,10S,10aR)-9-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,10-diyl diacetate

  • Molecular FormulaC25H36O6
  • Average mass432.550 Da
  • Monoisotopic mass432.251190 Da
  • ChemSpider ID25996842

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6aR,9R,10S,10aR)-9-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1,10-diyl-diacetat [German] [ACD/IUPAC Name]
(6aR,9R,10S,10aR)-9-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,10-diyl diacetate [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1,9,10-triol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, 1,10-diacetate, (6aR,9R,10S,10aR)- [ACD/Index Name]
Diacétate de (6aR,9R,10S,10aR)-9-hydroxy-6,6,9-triméthyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromène-1,10-diyle [French] [ACD/IUPAC Name]
[(6aR,9R,10R,10aR)-1-acetyloxy-9-hydroxy-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-10-yl] acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 492.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 154.9±22.2 °C
Index of Refraction: 1.543
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14415.25
ACD/KOC (pH 5.5): 32996.86
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14415.25
ACD/KOC (pH 7.4): 32996.86
Polar Surface Area: 82 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 373.3±5.0 cm3

Click to predict properties on the Chemicalize site


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